5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol

C53H33N3O — CID 71036779

IUPAC5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol
SMILESOc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc42)c2ccccc2-3)c2cccnc12
InChIInChI=1S/C53H33N3O/c57-50-29-28-38(43-15-10-30-54-51(43)50)36-25-27-42-40-14-5-7-17-45(40)53(47(42)32-36)44-16-6-4-13-39(44)41-26-24-35(31-46(41)53)33-20-22-34(23-21-33)52-55-48-18-8-9-19-49(48)56(52)37-11-2-1-3-12-37/h1-32,57H
InChIKeyRQCHKTTUPVKSJG-UHFFFAOYSA-N
MW727.87 g/mol
LogP12.62
Rot. Bonds4

About 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol

5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol (PubChem CID 71036779) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol.

Molecular Properties

Compound Name5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol
PubChem CID71036779
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol
SMILESOc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc42)c2ccccc2-3)c2cccnc12
InChIInChI=1S/C53H33N3O/c57-50-29-28-38(43-15-10-30-54-51(43)50)36-25-27-42-40-14-5-7-17-45(40)53(47(42)32-36)44-16-6-4-13-39(44)41-26-24-35(31-46(41)53)33-20-22-34(23-21-33)52-55-48-18-8-9-19-49(48)56(52)37-11-2-1-3-12-37/h1-32,57H
InChIKeyRQCHKTTUPVKSJG-UHFFFAOYSA-N
XLogP12.62
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 512.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol?
The IUPAC name of 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol (CID 71036779) is 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol.
What is the SMILES notation for 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol?
The canonical SMILES for 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol is Oc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc42)c2ccccc2-3)c2cccnc12.
What is the InChIKey of 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol?
The InChIKey is RQCHKTTUPVKSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c57-50-29-28-38(43-15-10-30-54-51(43)50)36-25-27-42-40-14-5-7-17-45(40)53(47(42)32-36)44-16-6-4-13-39(44)41-26-24-35(31-46(41)53)33-20-22-34(23-21-33)52-55-48-18-8-9-19-49(48)56(52)37-11-2-1-3-12-37/h1-32,57H.
What are the key properties of 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol?
5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol has a molecular weight of 727.87 g/mol, XLogP of 12.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol is sourced from PubChem (CID 71036779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).